iterations/neb0_image08_iter29_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.376822314104E+03 0.37682E+03 -0.14291E+04 624 0.799E+02
DAV: 2 0.370468676451E+01 -0.37312E+03 -0.35940E+03 869 0.196E+02
DAV: 3 -0.967584245053E+02 -0.10046E+03 -0.10013E+03 680 0.117E+02
DAV: 4 -0.101134285215E+03 -0.43759E+01 -0.43651E+01 704 0.278E+01
DAV: 5 -0.101217758993E+03 -0.83474E-01 -0.83439E-01 736 0.350E+00 0.229E+01
DAV: 6 -0.924560693658E+02 0.87617E+01 -0.30752E+01 688 0.302E+01 0.120E+01
DAV: 7 -0.915461994894E+02 0.90987E+00 -0.17208E+00 720 0.619E+00 0.481E+00
DAV: 8 -0.911648549309E+02 0.38134E+00 -0.55329E-01 712 0.399E+00 0.165E+00
DAV: 9 -0.910802502073E+02 0.84605E-01 -0.13187E-01 704 0.155E+00 0.435E-01
DAV: 10 -0.910704726482E+02 0.97776E-02 -0.44798E-02 752 0.111E+00 0.300E-01
DAV: 11 -0.910753004888E+02 -0.48278E-02 -0.13983E-02 610 0.619E-01 0.166E-01
DAV: 12 -0.910778225742E+02 -0.25221E-02 -0.24493E-03 637 0.215E-01 0.125E-01
DAV: 13 -0.910823812023E+02 -0.45586E-02 -0.36180E-03 650 0.313E-01 0.681E-02
DAV: 14 -0.910849224092E+02 -0.25412E-02 -0.68807E-04 680 0.154E-01 0.261E-02
DAV: 15 -0.910872236547E+02 -0.23012E-02 -0.27783E-04 637 0.679E-02 0.167E-02
DAV: 16 -0.910881093933E+02 -0.88574E-03 -0.63799E-05 616 0.417E-02 0.102E-02
DAV: 17 -0.910887668974E+02 -0.65750E-03 -0.85707E-05 620 0.385E-02 0.835E-03
DAV: 18 -0.910888621455E+02 -0.95248E-04 -0.94833E-06 504 0.315E-02 0.413E-03
DAV: 19 -0.910889471589E+02 -0.85013E-04 -0.23543E-05 459 0.221E-02 0.661E-03
DAV: 20 -0.910889537772E+02 -0.66183E-05 -0.17267E-06 520 0.122E-02
1 F= -.91088954E+02 E0= -.91093672E+02 d E =0.141533E-01